Molecule Details
InChIKeyBLLDUBJDTNVBCR-RSXGOPAZSA-N
Compound Name(2S)-N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl]-7-oxononyl]-6-(2,2,2-trifluoroethyl)-6-azaspiro[2.5]octane-2-carboxamide
Canonical SMILESCCC(=O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(CC(F)(F)F)CC2)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)3
Pfam Stratification Homologous
Avg pChEMBL8.43
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
Target Activities (3)
Target Gene Organism Category Pfam pChEMBL Type Source
O15379 HDAC3 Homo sapiens Human PF00850 8.8 IC50 ChEMBL;BindingDB
Q13547 HDAC1 Homo sapiens Human PF00850 8.5 IC50 ChEMBL;BindingDB
Q92769 HDAC2 Homo sapiens Human PF00850 8.0 IC50 ChEMBL;BindingDB